2-ethoxy-N-(imidazo[1,2-a]pyridin-3-ylmethyl)ethanamine;hydrochloride

C12H18ClN3O — CID 115587150

IUPAC2-ethoxy-N-(imidazo[1,2-a]pyridin-3-ylmethyl)ethanamine;hydrochloride
SMILESCCOCCNCc1cnc2ccccn12.Cl
InChIInChI=1S/C12H17N3O.ClH/c1-2-16-8-6-13-9-11-10-14-12-5-3-4-7-15(11)12;/h3-5,7,10,13H,2,6,8-9H2,1H3;1H
InChIKeyYTAQSXVHXUXRQC-UHFFFAOYSA-N
MW255.75 g/mol
LogP1.88
Rot. Bonds6

About 2-ethoxy-N-(imidazo[1,2-a]pyridin-3-ylmethyl)ethanamine;hydrochloride

2-ethoxy-N-(imidazo[1,2-a]pyridin-3-ylmethyl)ethanamine;hydrochloride (PubChem CID 115587150) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 2-ethoxy-N-(imidazo[1,2-a]pyridin-3-ylmethyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-ethoxy-N-(imidazo[1,2-a]pyridin-3-ylmethyl)ethanamine;hydrochloride
PubChem CID115587150
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name2-ethoxy-N-(imidazo[1,2-a]pyridin-3-ylmethyl)ethanamine;hydrochloride
SMILESCCOCCNCc1cnc2ccccn12.Cl
InChIInChI=1S/C12H17N3O.ClH/c1-2-16-8-6-13-9-11-10-14-12-5-3-4-7-15(11)12;/h3-5,7,10,13H,2,6,8-9H2,1H3;1H
InChIKeyYTAQSXVHXUXRQC-UHFFFAOYSA-N
XLogP1.88
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-N-(imidazo[1,2-a]pyrimidin-3-ylmethyl)ethanamine
CID 115747146
1-imidazo[1,2-a]pyridin-3-yl-N-methylmethanamine;hydrate;dihydrochloride
CID 73012288
N-(imidazo[1,2-a]pyridin-3-ylmethyl)pentan-3-amine;hydrochloride
CID 115587049
3-(imidazo[1,2-a]pyridin-3-ylmethylamino)-N-propan-2-ylpropanamide
CID 87021486
N-(imidazo[1,2-a]pyridin-3-ylmethyl)butan-2-amine
CID 115587073
2-imidazo[1,2-a]pyridin-3-yl-N-methylethanamine
CID 82598866
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-methylbutan-2-amine
CID 115591964
cis-(1R,3S)-3-ethoxy-1-[(imidazo[1,2-a]pyridin-3-ylmethylamino)methyl]-2,2-dimethylcyclobutan-1-ol
CID 99826775
imidazo[1,2-a]pyridin-3-ylmethanol;hydrochloride
CID 22938849
2-N,2-N-diethyl-1-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-phenylpropane-1,2-diamine
CID 87021501
N-(imidazo[1,2-a]pyridin-5-ylmethyl)-2-methoxyethanamine
CID 115883524
2-(2-chlorophenyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-methylpropan-1-amine
CID 86886867

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(imidazo[1,2-a]pyridin-3-ylmethyl)ethanamine;hydrochloride?
The IUPAC name of 2-ethoxy-N-(imidazo[1,2-a]pyridin-3-ylmethyl)ethanamine;hydrochloride (CID 115587150) is 2-ethoxy-N-(imidazo[1,2-a]pyridin-3-ylmethyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-ethoxy-N-(imidazo[1,2-a]pyridin-3-ylmethyl)ethanamine;hydrochloride?
The canonical SMILES for 2-ethoxy-N-(imidazo[1,2-a]pyridin-3-ylmethyl)ethanamine;hydrochloride is CCOCCNCc1cnc2ccccn12.Cl.
What is the InChIKey of 2-ethoxy-N-(imidazo[1,2-a]pyridin-3-ylmethyl)ethanamine;hydrochloride?
The InChIKey is YTAQSXVHXUXRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O.ClH/c1-2-16-8-6-13-9-11-10-14-12-5-3-4-7-15(11)12;/h3-5,7,10,13H,2,6,8-9H2,1H3;1H.
What are the key properties of 2-ethoxy-N-(imidazo[1,2-a]pyridin-3-ylmethyl)ethanamine;hydrochloride?
2-ethoxy-N-(imidazo[1,2-a]pyridin-3-ylmethyl)ethanamine;hydrochloride has a molecular weight of 255.75 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(imidazo[1,2-a]pyridin-3-ylmethyl)ethanamine;hydrochloride is sourced from PubChem (CID 115587150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).